N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine

C10H17N3 — CID 83828114

IUPACN'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine
SMILESCc1cc(C)nc(NCCCN)c1
InChIInChI=1S/C10H17N3/c1-8-6-9(2)13-10(7-8)12-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyMWHSJHXEZCELFK-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.46
Rot. Bonds4

About N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine

N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine (PubChem CID 83828114) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine
PubChem CID83828114
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine
SMILESCc1cc(C)nc(NCCCN)c1
InChIInChI=1S/C10H17N3/c1-8-6-9(2)13-10(7-8)12-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyMWHSJHXEZCELFK-UHFFFAOYSA-N
XLogP1.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-4,6-dimethylpyridin-2-amine
CID 22105749
N-decyl-4,6-dimethylpyridin-2-amine
CID 151938350
4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174775661
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
4-N-(4-aminobutyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174851741
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
4-(4,6-dimethyl-2-pyridinyl)butan-1-amine
CID 67823775
N-benzyl-4,6-dimethylpyridin-2-amine
CID 14593016
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine (CID 83828114) is N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine is Cc1cc(C)nc(NCCCN)c1.
What is the InChIKey of N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine?
The InChIKey is MWHSJHXEZCELFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-6-9(2)13-10(7-8)12-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine?
N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 83828114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).